1,3-디하이드로-3,3-디메틸-1-(트리플루오로메틸)-1,2-벤지오독솔,토그니스시약

3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole

HCID 16043572

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 887144-97-0
표준 SMILES: CC1(C)OI(C(F)(F)F)c2ccccc21
InChIKey: HVAPLSNCVYXFDQ-UHFFFAOYSA-N
분자식: C10H10F3IO
평균 분자량: 330.08 g/mol
단동위원소 질량: 329.9728476

이름 및 식별자

우선 이름: 3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole
IUPAC: 3,3-dimethyl-1-(trifluoromethyl)-1λ3,2-benziodoxole
현지명: 1,3-디하이드로-3,3-디메틸-1-(트리플루오로메틸)-1,2-벤지오독솔,토그니스시약
영어명: 1,3-Dihydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole, Tognis Reagent
분자식: C10H10F3IO
분자량: 330.09

이름 및 동의어

887144-97-03,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole1-Trifluoromethyl-3,3-dimethyl-1,2-benziodoxole1,2-Benziodoxole, 3,3-dimethyl-1-(trifluoromethyl)-3OK0E02MT6Togni's reagents dimethyl compound [MI]RefChem:485454TOGNI'S REAGENTS DIMETHYL COMPOUND626-754-6Togni's ReagentMFCD105670561,3-Dihydro-3,3-dimethyl-1-(trifluoromethyl)-1,2-benziodoxole

이름 더 보기

1,3-디하이드로-3,3-디메틸-1-(트리플루오로메틸)-1,2-벤지오독솔,토그니스시약3,3-DMethyl-1-(trifluoroMethyl)-1,2-benziodoxole3,3-Dimethyl-1-(trifluoromethyl)-1,2-benzodioxole1,2-Benziodoxole,3,3-dimethyl-1-(trifluoromethyl)-1,3-Dihydro-3,3-diMethyl-1-(trifluoroMethyl)-1,2-b3,3-dimethyl-1-(trifluoromethyl)-1λ3,2-benziodoxole

Togni ReagentUNII-3OK0E02MT63,3-dimethyl-1-(trifluoromethyl)-1lambda3,2-benziodoxolecompound 1, Togni reagent ITrifluoromethyl-1,3-dihydro-3,3-dimethyl-1,2-benziodoxole3,3-dimethyl-1-(trifluoromethyl)-1,3-dihydro-1lambda3,2-benziodoxole3,3-Dimethyl-1-(trifluoromethyl)-1,2-benziodoxole (Togni inverted exclamation mark(R)s reagent I)3,3-Dimethyl-1-(trifluoromethyl)-2-benziodoxole;

데이터베이스 식별자

CAS: 887144-97-0
PubChem CID: 16043572
DTXSID: DTXSID20581402
UNII: 3OK0E02MT6
EC Number: 626-754-6
Nikkaji: J2.315.731D

물성

구조 계산 물성

XLogP: 4
극성 표면적: 9.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 0
무거운 원자 수: 15
형식 전하: 0
복잡도: 252

물리화학적 성질

녹는점: 75 · 75-79 °C
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 가루
색상: 흰색에서 황백색까지
안정성: 수분에 민감한
InChI: InChI=1S/C10H10F3IO/c1-9(2)7-5-3-4-6-8(7)14(15-9)10(11,12)13/h3-6H,1-2H3
InChIKey: HVAPLSNCVYXFDQ-UHFFFAOYSA-N
SMILES: I1(C(F)(F)F)C2=CC=CC=C2C(C)(C)O1

화학적 성질

White to light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H228 (97.6%): Flammable solid [Danger Flammable solids]

P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Sol. 2 (97.6%)

안전 데이터

wgk: 3
tsca: No
ridadr: 1325
HS 번호: 29349990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37
포장분류: Ⅲ
위험 등급: 4.1
Hazard Classifications: Eye Irrit. 2Flam. Sol. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 4.1B - Flammable solid hazardous materials

화학 및 산업

응용 분야

용도Mild, electrophilic, hypervalent iodine CF3 reagent effective for the trifluoromethylation of a wide range of substrates.

상·하류 제품 정보

상류 원료

1,2-Benziodoxole, 1-(acetyloxy)-1,3-dihydro-3,3-dimethyl 1-플루오로-3,3-디메틸-1,2-벤지오독솔 1-클로로-1,3-디하이드로-3,3-디메틸-1,2-벤지오독솔 메틸2-요오도벤조에이트 2-(2-요오도페닐)프로판-2-올

하류 제품

1-브로모-4-(1-트리플루오로메틸-시클로프로필)-벤젠 3-(trifluoroMethyl)pyrazin-2-aMine 4-(트리플루오로메틸)디페닐에테르 4-(tert-Butyl)-alpha,alpha,alpha-trifluorotoluene, 1-(tert-Butyl)-4-(trifluoromethyl)benzene 2-[(trifluoromethyl)sulfanyl]phenol

공급사100 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海硅兰医药科技有限公司17301772648; 17301772648 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

화합물 노트

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